CID 24970653

1046811-97-5

Structural Information

Molecular Formula
C10H17BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=COCCO2
InChI
InChI=1S/C10H17BO4/c1-9(2)10(3,4)15-11(14-9)8-7-12-5-6-13-8/h7H,5-6H2,1-4H3
InChIKey
PQUXXLGCBJLNMN-UHFFFAOYSA-N
Compound name
2-(2,3-dihydro-1,4-dioxin-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

212.122 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.12928 141.6
[M+Na]+ 235.11122 149.4
[M-H]- 211.11472 150.9
[M+NH4]+ 230.15582 160.8
[M+K]+ 251.08516 153.5
[M+H-H2O]+ 195.11926 138.2
[M+HCOO]- 257.12020 159.0
[M+CH3COO]- 271.13585 184.7
[M+Na-2H]- 233.09667 149.9
[M]+ 212.12145 144.5
[M]- 212.12255 144.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe